Sadopine
[CAS# 111127-62-9]

基本信息

• 产品名称: Sadopine
• 英文名: Sadopine
• 别名: O3-[2-[[2-(Tert-Butoxycarbonylamino)-4-Methylsulfanyl-Butanoyl]Amino]Ethyl] O5-Ethyl 2,6-Dimethyl-4-[2-(Trifluoromethyl)Phenyl]-1,4-Dihydropyridine-3,5-Dicarboxylate; 2,6-Dimethyl-4-[2-(Trifluoromethyl)Phenyl]-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-[[2-[(Tert-Butoxy-Oxomethyl)Amino]-4-(Methylthio)-1-Oxobutyl]Amino]Ethyl] O5-Ethyl Ester; 2,6-Dimethyl-4-[2-(Trifluoromethyl)Phenyl]-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-[2-[[2-(Tert-Butoxycarbonylamino)-4-(Methylthio)Butanoyl]Amino]Ethyl] O5-Ethyl Ester
• 分子式: C₃₀H₄₀F₃N₃O₇S
• 分子量: 643.72
• CAS 登录号: 111127-62-9
• 分子行输入简码 SMILES: C1=CC=CC(=C1C2C(=C(NC(=C2C(OCC)=O)C)C)C(=O)OCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)C(F)(F)F
• 国际化学标识码 InChI: 1S/C30H40F3N3O7S/c1-8-41-26(38)22-17(2)35-18(3)23(24(22)19-11-9-10-12-20(19)30(31,32)33)27(39)42-15-14-34-25(37)21(13-16-44-7)36-28(40)43-29(4,5)6/h9-12,21,24,35H,8,13-16H2,1-7H3,(H,34,37)(H,36,40)
• 国际化学标识检索码 InChIKey: IAGRRCQYHMPXJH-UHFFFAOYSA-N

物理化学性质

• 密度: 1.227g/cm³ （计算值）
• 沸点: 753.743°C at 760 mmHg （计算值）
• 闪点: 409.649°C （计算值）